update URLs in source code and manual
This commit is contained in:
13
doc/README
13
doc/README
@ -25,16 +25,11 @@ github-development-workflow.md notes on the LAMMPS development workflow
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include-file-conventions.md notes on LAMMPS' include file conventions
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include-file-conventions.md notes on LAMMPS' include file conventions
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documentation_conventions.md notes on writing documentation for LAMMPS
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documentation_conventions.md notes on writing documentation for LAMMPS
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|
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If you downloaded a LAMMPS tarball from lammps.sandia.gov, then the html
|
If you downloaded a LAMMPS tarball from www.lammps.org, then the html
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folder and the PDF manual should be included. If you downloaded LAMMPS
|
folder and the PDF manual should be included. If you downloaded LAMMPS
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from GitHub then you either need to download them or build them.
|
from GitHub then you either need to build them.
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|
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(a) You can "fetch" the current HTML and PDF files from the LAMMPS web
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You can build the HTML and PDF files yourself, by typing "make html"
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site. Just type "make fetch". This should create a html_www directory
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and Manual_www.pdf file. These will always represent the latest published
|
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patch/development version of LAMMPS.
|
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|
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(b) You can build the HTML and PDF files yourself, by typing "make html"
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or by "make pdf", respectively. This requires various tools and files.
|
or by "make pdf", respectively. This requires various tools and files.
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Some of them have to be installed (more on that below). For the rest the
|
Some of them have to be installed (more on that below). For the rest the
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build process will attempt to download and install into a python virtual
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build process will attempt to download and install into a python virtual
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@ -78,4 +73,4 @@ the tool 'ebook-convert' from the 'calibre' e-book management software
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----------------
|
----------------
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|
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More details this can be found in the manual itself. The online
|
More details this can be found in the manual itself. The online
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version is at: https://lammps.sandia.gov/doc/Manual_build.html
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version is at: https://docs.lammps.org/Build_manual.html
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@ -46,8 +46,8 @@ b. You can build the HTML or PDF files yourself, by typing ``make html``
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|
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A current version of the manual (latest patch release, aka unstable
|
A current version of the manual (latest patch release, aka unstable
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branch) is is available online at:
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branch) is is available online at:
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`https://lammps.sandia.gov/doc/Manual.html
|
`https://docs.lammps.org/Manual.html
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<https://lammps.sandia.gov/doc/Manual.html>`_ A version of the manual
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<https://docs.lammps.org/Manual.html>`_ A version of the manual
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corresponding to the ongoing development (aka master branch) is
|
corresponding to the ongoing development (aka master branch) is
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available online at: `https://docs.lammps.org/
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available online at: `https://docs.lammps.org/
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<https://docs.lammps.org/>`_
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<https://docs.lammps.org/>`_
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@ -257,4 +257,4 @@ the file ``lammps/doc/utils/sphinx-config/false_positives.txt``.
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|
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.. _rst: https://docutils.readthedocs.io/en/sphinx-docs/user/rst/quickstart.html
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.. _rst: https://docutils.readthedocs.io/en/sphinx-docs/user/rst/quickstart.html
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|
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.. _lws: https://lammps.sandia.gov
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.. _lws: https://www.lammps.org
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@ -5,8 +5,8 @@ If you are confident that you have found a bug in LAMMPS, please follow
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the steps outlined below:
|
the steps outlined below:
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|
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* Check the `New features and bug fixes
|
* Check the `New features and bug fixes
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<https://lammps.sandia.gov/bug.html>`_ section of the `LAMMPS WWW site
|
<https://www.lammps.org/bug.html>`_ section of the `LAMMPS WWW site
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<https://lammps.sandia.gov>`_ or the
|
<https://www.lammps.org>`_ or the
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`GitHub Releases page <https://github.com/lammps/lammps/releases>`_ to
|
`GitHub Releases page <https://github.com/lammps/lammps/releases>`_ to
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see if the bug has already been addressed in a patch release.
|
see if the bug has already been addressed in a patch release.
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* Check that your issue can be reproduced with the latest development
|
* Check that your issue can be reproduced with the latest development
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@ -17,7 +17,7 @@ the steps outlined below:
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if your issue has already been reported and if it is still open.
|
if your issue has already been reported and if it is still open.
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* Check the `GitHub Pull Requests page <https://github.com/lammps/lammps/pulls>`_
|
* Check the `GitHub Pull Requests page <https://github.com/lammps/lammps/pulls>`_
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to see if there is already a fix for your bug pending.
|
to see if there is already a fix for your bug pending.
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* Check the `mailing list archives <https://lammps.sandia.gov/mail.html>`_
|
* Check the `mailing list archives <https://www.lammps.org/mail.html>`_
|
||||||
to see if the issue has been discussed before.
|
to see if the issue has been discussed before.
|
||||||
|
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If none of these steps yields any useful information, please file a new
|
If none of these steps yields any useful information, please file a new
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@ -39,7 +39,7 @@ figure out your physics or numerical mistakes, like choosing too big a
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timestep, specifying erroneous force field coefficients, or putting 2
|
timestep, specifying erroneous force field coefficients, or putting 2
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atoms on top of each other! If you run into errors that LAMMPS
|
atoms on top of each other! If you run into errors that LAMMPS
|
||||||
does not catch that you think it should flag, please send an email to
|
does not catch that you think it should flag, please send an email to
|
||||||
the `developers <https://lammps.sandia.gov/authors.html>`_.
|
the `developers <https://www.lammps.org/authors.html>`_.
|
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|
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If you get an error message about an invalid command in your input
|
If you get an error message about an invalid command in your input
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script, you can determine what command is causing the problem by
|
script, you can determine what command is causing the problem by
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@ -3871,7 +3871,7 @@ Doc page with :doc:`WARNING messages <Errors_warnings>`
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*Fix orient/fcc found self twice*
|
*Fix orient/fcc found self twice*
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The neighbor lists used by fix orient/fcc are messed up. If this
|
The neighbor lists used by fix orient/fcc are messed up. If this
|
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error occurs, it is likely a bug, so send an email to the
|
error occurs, it is likely a bug, so send an email to the
|
||||||
`developers <https://lammps.sandia.gov/authors.html>`_.
|
`developers <https://www.lammps.org/authors.html>`_.
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|
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*Fix peri neigh does not exist*
|
*Fix peri neigh does not exist*
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Somehow a fix that the pair style defines has been deleted.
|
Somehow a fix that the pair style defines has been deleted.
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@ -18,7 +18,7 @@ files and image files.
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|
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||||||
If you uncomment the :doc:`dump <dump>` command in the input script, a
|
If you uncomment the :doc:`dump <dump>` command in the input script, a
|
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text dump file will be produced, which can be animated by various
|
text dump file will be produced, which can be animated by various
|
||||||
`visualization programs <https://lammps.sandia.gov/viz.html>`_.
|
`visualization programs <https://www.lammps.org/viz.html>`_.
|
||||||
|
|
||||||
If you uncomment the :doc:`dump image <dump>` command in the input
|
If you uncomment the :doc:`dump image <dump>` command in the input
|
||||||
script, and assuming you have built LAMMPS with a JPG library, JPG
|
script, and assuming you have built LAMMPS with a JPG library, JPG
|
||||||
@ -27,7 +27,7 @@ be quickly post-processed into a movie using commands described on the
|
|||||||
:doc:`dump image <dump_image>` doc page.
|
:doc:`dump image <dump_image>` doc page.
|
||||||
|
|
||||||
Animations of many of the examples can be viewed on the Movies section
|
Animations of many of the examples can be viewed on the Movies section
|
||||||
of the `LAMMPS web site <https://lammps.sandia.gov/movies.html>`_.
|
of the `LAMMPS web site <https://www.lammps.org/movies.html>`_.
|
||||||
|
|
||||||
There are two kinds of sub-directories in the examples folder. Lower
|
There are two kinds of sub-directories in the examples folder. Lower
|
||||||
case named directories contain one or a few simple, quick-to-run
|
case named directories contain one or a few simple, quick-to-run
|
||||||
@ -166,7 +166,7 @@ Here is how you can run and visualize one of the sample problems:
|
|||||||
Running the simulation produces the files *dump.indent* and
|
Running the simulation produces the files *dump.indent* and
|
||||||
*log.lammps*\ . You can visualize the dump file of snapshots with a
|
*log.lammps*\ . You can visualize the dump file of snapshots with a
|
||||||
variety of third-party tools highlighted on the
|
variety of third-party tools highlighted on the
|
||||||
`Visualization <https://lammps.sandia.gov/viz.html>`_ page of the LAMMPS
|
`Visualization <https://www.lammps.org/viz.html>`_ page of the LAMMPS
|
||||||
web site.
|
web site.
|
||||||
|
|
||||||
If you uncomment the :doc:`dump image <dump_image>` line(s) in the input
|
If you uncomment the :doc:`dump image <dump_image>` line(s) in the input
|
||||||
|
|||||||
@ -3,7 +3,7 @@ Howto discussions
|
|||||||
|
|
||||||
These doc pages describe how to perform various tasks with LAMMPS,
|
These doc pages describe how to perform various tasks with LAMMPS,
|
||||||
both for users and developers. The
|
both for users and developers. The
|
||||||
`glossary <https://lammps.sandia.gov/glossary.html>`_ website page also lists MD
|
`glossary <https://www.lammps.org/glossary.html>`_ website page also lists MD
|
||||||
terminology with links to corresponding LAMMPS manual pages. The
|
terminology with links to corresponding LAMMPS manual pages. The
|
||||||
example input scripts included in the examples directory of the LAMMPS
|
example input scripts included in the examples directory of the LAMMPS
|
||||||
distribution and highlighted on the :doc:`Examples <Examples>` doc page
|
distribution and highlighted on the :doc:`Examples <Examples>` doc page
|
||||||
|
|||||||
@ -201,7 +201,7 @@ build configuration and any binaries generated during compilation.
|
|||||||
|
|
||||||
There are countless ways to compile LAMMPS. It is beyond the scope of this
|
There are countless ways to compile LAMMPS. It is beyond the scope of this
|
||||||
tutorial. If you want to find out more about what can be enabled, please
|
tutorial. If you want to find out more about what can be enabled, please
|
||||||
consult the extensive `documentation <https://lammps.sandia.gov/doc/Build_cmake.html>`_.
|
consult the extensive `documentation <https://docs.lammps.org/Build_cmake.html>`_.
|
||||||
|
|
||||||
To compile a minimal version of LAMMPS, we're going to use a preset.
|
To compile a minimal version of LAMMPS, we're going to use a preset.
|
||||||
Presets are a way to specify a collection of CMake options using a file.
|
Presets are a way to specify a collection of CMake options using a file.
|
||||||
|
|||||||
@ -78,7 +78,7 @@ this is as follows.
|
|||||||
$ git checkout tagID
|
$ git checkout tagID
|
||||||
|
|
||||||
Stable versions and what tagID to use for a particular stable version
|
Stable versions and what tagID to use for a particular stable version
|
||||||
are discussed on `this page <https://lammps.sandia.gov/bug.html#version>`_.
|
are discussed on `this page <https://www.lammps.org/bug.html#version>`_.
|
||||||
Note that this command will print some warnings, because in order to get
|
Note that this command will print some warnings, because in order to get
|
||||||
back to the latest revision and to be able to update with ``git pull``
|
back to the latest revision and to be able to update with ``git pull``
|
||||||
again, you will need to do ``git checkout unstable`` (or
|
again, you will need to do ``git checkout unstable`` (or
|
||||||
|
|||||||
@ -10,7 +10,7 @@ If you prefer to download a tarball, as described on the
|
|||||||
:doc:`tarball download <Install_tarball>` page, you can stay current by
|
:doc:`tarball download <Install_tarball>` page, you can stay current by
|
||||||
downloading "patch files" when new patch releases are made. A link to
|
downloading "patch files" when new patch releases are made. A link to
|
||||||
a patch file is posted on the
|
a patch file is posted on the
|
||||||
`bug fixes and new feature page <https://lammps.sandia.gov/bug.html>`_
|
`bug fixes and new feature page <https://www.lammps.org/bug.html>`_
|
||||||
of the LAMMPS website, along
|
of the LAMMPS website, along
|
||||||
with a list of changed files and details about what is in the new patch
|
with a list of changed files and details about what is in the new patch
|
||||||
release. This page explains how to apply the patch file to your local
|
release. This page explains how to apply the patch file to your local
|
||||||
|
|||||||
@ -4,10 +4,10 @@ Download source and documentation as a tarball
|
|||||||
You can download a current LAMMPS tarball from the `download page <download_>`_
|
You can download a current LAMMPS tarball from the `download page <download_>`_
|
||||||
of the `LAMMPS website <lws_>`_.
|
of the `LAMMPS website <lws_>`_.
|
||||||
|
|
||||||
.. _download: https://lammps.sandia.gov/download.html
|
.. _download: https://www.lammps.org/download.html
|
||||||
.. _bug: https://lammps.sandia.gov/bug.html
|
.. _bug: https://www.lammps.org/bug.html
|
||||||
.. _older: https://lammps.sandia.gov/tars
|
.. _older: https://www.lammps.org/tars
|
||||||
.. _lws: https://lammps.sandia.gov
|
.. _lws: https://www.lammps.org
|
||||||
|
|
||||||
You have two choices of tarballs, either the most recent stable
|
You have two choices of tarballs, either the most recent stable
|
||||||
release or the most current patch release. Stable releases occur a
|
release or the most current patch release. Stable releases occur a
|
||||||
|
|||||||
@ -11,14 +11,14 @@ University:
|
|||||||
* Richard Berger, richard.berger at temple.edu
|
* Richard Berger, richard.berger at temple.edu
|
||||||
|
|
||||||
.. _sjp: http://www.cs.sandia.gov/~sjplimp
|
.. _sjp: http://www.cs.sandia.gov/~sjplimp
|
||||||
.. _lws: https://lammps.sandia.gov
|
.. _lws: https://www.lammps.org
|
||||||
|
|
||||||
Past developers include Paul Crozier and Mark Stevens, both at Sandia,
|
Past developers include Paul Crozier and Mark Stevens, both at Sandia,
|
||||||
and Ray Shan, now at Materials Design.
|
and Ray Shan, now at Materials Design.
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
The `Authors page <https://lammps.sandia.gov/authors.html>`_ of the
|
The `Authors page <https://www.lammps.org/authors.html>`_ of the
|
||||||
`LAMMPS website <lws_>`_ has a comprehensive list of all the individuals
|
`LAMMPS website <lws_>`_ has a comprehensive list of all the individuals
|
||||||
who have contributed code for a new feature or command or tool to
|
who have contributed code for a new feature or command or tool to
|
||||||
LAMMPS.
|
LAMMPS.
|
||||||
@ -46,7 +46,7 @@ general-purpose as it is without their expertise and efforts.
|
|||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
As discussed on the `History page <https://lammps.sandia.gov/history.html>`_ of the website, LAMMPS
|
As discussed on the `History page <https://www.lammps.org/history.html>`_ of the website, LAMMPS
|
||||||
originated as a cooperative project between DOE labs and industrial
|
originated as a cooperative project between DOE labs and industrial
|
||||||
partners. Folks involved in the design and testing of the original
|
partners. Folks involved in the design and testing of the original
|
||||||
version of LAMMPS were the following:
|
version of LAMMPS were the following:
|
||||||
|
|||||||
@ -38,8 +38,8 @@ In addition there are DOIs for individual stable releases. Currently there are:
|
|||||||
Home page
|
Home page
|
||||||
^^^^^^^^^
|
^^^^^^^^^
|
||||||
|
|
||||||
The LAMMPS website at `https://lammps.sandia.gov/
|
The LAMMPS website at `https://www.lammps.org/
|
||||||
<https://lammps.sandia.gov>`_ is the canonical location for information
|
<https://www.lammps.org>`_ is the canonical location for information
|
||||||
about LAMMPS and its features.
|
about LAMMPS and its features.
|
||||||
|
|
||||||
Citing contributions
|
Citing contributions
|
||||||
|
|||||||
@ -33,7 +33,7 @@ Here are suggestions on how to perform these tasks:
|
|||||||
linear bead-spring polymer chains. The moltemplate program is a true
|
linear bead-spring polymer chains. The moltemplate program is a true
|
||||||
molecular builder that will generate complex molecular models. See
|
molecular builder that will generate complex molecular models. See
|
||||||
the :doc:`Tools <Tools>` doc page for details on tools packaged with
|
the :doc:`Tools <Tools>` doc page for details on tools packaged with
|
||||||
LAMMPS. The `Pre/post processing page <http:/lammps.sandia.gov/prepost.html>`_ of the LAMMPS website
|
LAMMPS. The `Pre/post processing page <http:/www.lammps.org/prepost.html>`_ of the LAMMPS website
|
||||||
describes a variety of third party tools for this task. Furthermore,
|
describes a variety of third party tools for this task. Furthermore,
|
||||||
some LAMMPS internal commands allow to reconstruct, or selectively add
|
some LAMMPS internal commands allow to reconstruct, or selectively add
|
||||||
topology information, as well as provide the option to insert molecule
|
topology information, as well as provide the option to insert molecule
|
||||||
@ -67,7 +67,7 @@ Here are suggestions on how to perform these tasks:
|
|||||||
them to an external program, `FFmpeg <https://www.ffmpeg.org>`_ to generate
|
them to an external program, `FFmpeg <https://www.ffmpeg.org>`_ to generate
|
||||||
movies from them. For high-quality, interactive visualization there are
|
movies from them. For high-quality, interactive visualization there are
|
||||||
many excellent and free tools available. See the
|
many excellent and free tools available. See the
|
||||||
`Visualization Tools <https://lammps.sandia.gov/viz.html>`_ page of the
|
`Visualization Tools <https://www.lammps.org/viz.html>`_ page of the
|
||||||
LAMMPS website for
|
LAMMPS website for
|
||||||
visualization packages that can process LAMMPS output data.
|
visualization packages that can process LAMMPS output data.
|
||||||
* **Plotting:** See the next bullet about Pizza.py as well as the
|
* **Plotting:** See the next bullet about Pizza.py as well as the
|
||||||
|
|||||||
@ -16,10 +16,10 @@ shared-memory boxes and distributed-memory clusters and
|
|||||||
supercomputers.
|
supercomputers.
|
||||||
|
|
||||||
.. _mpi: https://en.wikipedia.org/wiki/Message_Passing_Interface
|
.. _mpi: https://en.wikipedia.org/wiki/Message_Passing_Interface
|
||||||
.. _lws: https://lammps.sandia.gov
|
.. _lws: https://www.lammps.org
|
||||||
|
|
||||||
LAMMPS is written in C++. Earlier versions were written in F77 and
|
LAMMPS is written in C++. Earlier versions were written in F77 and
|
||||||
F90. See the `History page <https://lammps.sandia.gov/history.html>`_ of
|
F90. See the `History page <https://www.lammps.org/history.html>`_ of
|
||||||
the website for details. All versions can be downloaded from the
|
the website for details. All versions can be downloaded from the
|
||||||
`LAMMPS website <lws_>`_.
|
`LAMMPS website <lws_>`_.
|
||||||
|
|
||||||
|
|||||||
@ -5,31 +5,31 @@ The `LAMMPS website <lws_>`_ has a variety of additional info about
|
|||||||
LAMMPS, beyond what is in this manual. Some other useful resources
|
LAMMPS, beyond what is in this manual. Some other useful resources
|
||||||
available online are listed below.
|
available online are listed below.
|
||||||
|
|
||||||
.. _lws: https://lammps.sandia.gov
|
.. _lws: https://www.lammps.org
|
||||||
|
|
||||||
* `Brief intro and recently added significant features <lws_>`_
|
* `Brief intro and recently added significant features <lws_>`_
|
||||||
* `List of features <https://lammps.sandia.gov/doc/Intro_features.html>`_
|
* `List of features <https://docs.lammps.org/Intro_features.html>`_
|
||||||
* `List of non-features <https://lammps.sandia.gov/doc/Intro_nonfeatures.html>`_
|
* `List of non-features <https://docs.lammps.org/Intro_nonfeatures.html>`_
|
||||||
* `Recent bug fixes and new features <https://lammps.sandia.gov/bug.html>`_
|
* `Recent bug fixes and new features <https://www.lammps.org/bug.html>`_
|
||||||
|
|
||||||
* `Download info <https://lammps.sandia.gov/download.html>`_
|
* `Download info <https://www.lammps.org/download.html>`_
|
||||||
* `GitHub site <https://github.com/lammps/lammps>`_
|
* `GitHub site <https://github.com/lammps/lammps>`_
|
||||||
* `SourceForge site <https://sourceforge.net/projects/lammps>`_
|
* `SourceForge site <https://sourceforge.net/projects/lammps>`_
|
||||||
* `LAMMPS open-source license <https://lammps.sandia.gov/doc/Intro_opensource.html>`_
|
* `LAMMPS open-source license <https://docs.lammps.org/Intro_opensource.html>`_
|
||||||
|
|
||||||
* `Glossary of terms relevant to LAMMPS <https://lammps.sandia.gov/glossary.html>`_
|
* `Glossary of terms relevant to LAMMPS <https://www.lammps.org/glossary.html>`_
|
||||||
* `LAMMPS highlights with images <https://lammps.sandia.gov/pictures.html>`_
|
* `LAMMPS highlights with images <https://www.lammps.org/pictures.html>`_
|
||||||
* `LAMMPS highlights with movies <https://lammps.sandia.gov/movies.html>`_
|
* `LAMMPS highlights with movies <https://www.lammps.org/movies.html>`_
|
||||||
* `Mail list <https://lammps.sandia.gov/mail.html>`_
|
* `Mail list <https://www.lammps.org/mail.html>`_
|
||||||
* `Workshops <https://lammps.sandia.gov/workshops.html>`_
|
* `Workshops <https://www.lammps.org/workshops.html>`_
|
||||||
* `Tutorials <https://lammps.sandia.gov/tutorials.html>`_
|
* `Tutorials <https://www.lammps.org/tutorials.html>`_
|
||||||
|
|
||||||
* `Pre- and post-processing tools for LAMMPS <https://lammps.sandia.gov/prepost.html>`_
|
* `Pre- and post-processing tools for LAMMPS <https://www.lammps.org/prepost.html>`_
|
||||||
* `Other software usable with LAMMPS <https://lammps.sandia.gov/offsite.html>`_
|
* `Other software usable with LAMMPS <https://www.lammps.org/offsite.html>`_
|
||||||
* `Viz tools usable with LAMMPS <https://lammps.sandia.gov/viz.html>`_
|
* `Viz tools usable with LAMMPS <https://www.lammps.org/viz.html>`_
|
||||||
|
|
||||||
* `Benchmark performance <https://lammps.sandia.gov/bench.html>`_
|
* `Benchmark performance <https://www.lammps.org/bench.html>`_
|
||||||
* `Publications that have cited LAMMPS <https://lammps.sandia.gov/papers.html>`_
|
* `Publications that have cited LAMMPS <https://www.lammps.org/papers.html>`_
|
||||||
* `Authors of LAMMPS <https://lammps.sandia.gov/authors.html>`_
|
* `Authors of LAMMPS <https://www.lammps.org/authors.html>`_
|
||||||
* `History of LAMMPS development <https://lammps.sandia.gov/history.html>`_
|
* `History of LAMMPS development <https://www.lammps.org/history.html>`_
|
||||||
* `Funding for LAMMPS <https://lammps.sandia.gov/funding.html>`_
|
* `Funding for LAMMPS <https://www.lammps.org/funding.html>`_
|
||||||
|
|||||||
@ -15,7 +15,7 @@ the GNU Public License (GPL).
|
|||||||
|
|
||||||
The `LAMMPS website <lws_>`_ has a variety of information about the
|
The `LAMMPS website <lws_>`_ has a variety of information about the
|
||||||
code. It includes links to an on-line version of this manual, a
|
code. It includes links to an on-line version of this manual, a
|
||||||
`mailing list <https://lammps.sandia.gov/mail.html>`_ where users can
|
`mailing list <https://www.lammps.org/mail.html>`_ where users can
|
||||||
post questions, and a `GitHub site <https://github.com/lammps/lammps>`_
|
post questions, and a `GitHub site <https://github.com/lammps/lammps>`_
|
||||||
where all LAMMPS development is coordinated.
|
where all LAMMPS development is coordinated.
|
||||||
|
|
||||||
@ -42,7 +42,7 @@ programming languages and how to modify and extend LAMMPS.
|
|||||||
:doc:`this page <Commands_all>` since it gives quick access
|
:doc:`this page <Commands_all>` since it gives quick access
|
||||||
the documentation for all LAMMPS commands.
|
the documentation for all LAMMPS commands.
|
||||||
|
|
||||||
.. _lws: https://lammps.sandia.gov
|
.. _lws: https://www.lammps.org
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -129,4 +129,4 @@ Indices and tables
|
|||||||
where parts of the pages are not rendered as expected (e.g. the layout is
|
where parts of the pages are not rendered as expected (e.g. the layout is
|
||||||
broken or mathematical expressions not typeset). In that case we
|
broken or mathematical expressions not typeset). In that case we
|
||||||
recommend to install/use a different/newer web browser or use
|
recommend to install/use a different/newer web browser or use
|
||||||
the `PDF version of the manual <https://lammps.sandia.gov/doc/Manual.pdf>`_.
|
the `PDF version of the manual <https://docs.lammps.org/Manual.pdf>`_.
|
||||||
|
|||||||
@ -5,7 +5,7 @@ The LAMMPS "version" is the date when it was released, such as 1 May
|
|||||||
2014. LAMMPS is updated continuously. Whenever we fix a bug or add a
|
2014. LAMMPS is updated continuously. Whenever we fix a bug or add a
|
||||||
feature, we release it in the next *patch* release, which are
|
feature, we release it in the next *patch* release, which are
|
||||||
typically made every couple of weeks. Info on patch releases are on
|
typically made every couple of weeks. Info on patch releases are on
|
||||||
`this website page <https://lammps.sandia.gov/bug.html>`_. Every few
|
`this website page <https://www.lammps.org/bug.html>`_. Every few
|
||||||
months, the latest patch release is subjected to more thorough testing
|
months, the latest patch release is subjected to more thorough testing
|
||||||
and labeled as a *stable* version.
|
and labeled as a *stable* version.
|
||||||
|
|
||||||
|
|||||||
@ -2,7 +2,7 @@ Submitting new features for inclusion in LAMMPS
|
|||||||
===============================================
|
===============================================
|
||||||
|
|
||||||
We encourage users to submit new features or modifications for LAMMPS to
|
We encourage users to submit new features or modifications for LAMMPS to
|
||||||
`the core developers <https://lammps.sandia.gov/authors.html>`_ so they
|
`the core developers <https://www.lammps.org/authors.html>`_ so they
|
||||||
can be added to the LAMMPS distribution. The preferred way to manage and
|
can be added to the LAMMPS distribution. The preferred way to manage and
|
||||||
coordinate this is via the LAMMPS project on `GitHub
|
coordinate this is via the LAMMPS project on `GitHub
|
||||||
<https://github.com/lammps/lammps>`_. Please see the :doc:`GitHub
|
<https://github.com/lammps/lammps>`_. Please see the :doc:`GitHub
|
||||||
@ -31,7 +31,7 @@ send an e-mail to ``slack@lammps.org`` explaining what part of LAMMPS
|
|||||||
you are working on. Only discussions related to LAMMPS development are
|
you are working on. Only discussions related to LAMMPS development are
|
||||||
tolerated, so this is **NOT** for people that look for help with compiling,
|
tolerated, so this is **NOT** for people that look for help with compiling,
|
||||||
installing, or using LAMMPS. Please contact the `lammps-users mailing
|
installing, or using LAMMPS. Please contact the `lammps-users mailing
|
||||||
list <https://lammps.sandia.gov/mail.html>`_ for those purposes instead.
|
list <https://www.lammps.org/mail.html>`_ for those purposes instead.
|
||||||
|
|
||||||
How quickly your contribution will be integrated depends largely on how
|
How quickly your contribution will be integrated depends largely on how
|
||||||
much effort it will cause to integrate and test it, how many and what
|
much effort it will cause to integrate and test it, how many and what
|
||||||
@ -67,7 +67,7 @@ distribution removed (e.g. interface to FFTW). See the
|
|||||||
|
|
||||||
With user packages and files, all we are really providing (aside from
|
With user packages and files, all we are really providing (aside from
|
||||||
the fame and fortune that accompanies having your name in the source
|
the fame and fortune that accompanies having your name in the source
|
||||||
code and on the `Authors page <https://lammps.sandia.gov/authors.html>`_
|
code and on the `Authors page <https://www.lammps.org/authors.html>`_
|
||||||
of the `LAMMPS WWW site <lws_>`_), is a means for you to distribute your
|
of the `LAMMPS WWW site <lws_>`_), is a means for you to distribute your
|
||||||
work to the LAMMPS user community, and a mechanism for others to
|
work to the LAMMPS user community, and a mechanism for others to
|
||||||
easily try out your new feature. This may help you find bugs or make
|
easily try out your new feature. This may help you find bugs or make
|
||||||
@ -81,13 +81,13 @@ unusual event).
|
|||||||
If you prefer to actively develop and support your add-on
|
If you prefer to actively develop and support your add-on
|
||||||
feature yourself, then you may wish to make it available for download
|
feature yourself, then you may wish to make it available for download
|
||||||
from your own website, as a user package that LAMMPS users can add to
|
from your own website, as a user package that LAMMPS users can add to
|
||||||
their copy of LAMMPS. See the `Offsite LAMMPS packages and tools <https://lammps.sandia.gov/offsite.html>`_ page of the LAMMPS web
|
their copy of LAMMPS. See the `Offsite LAMMPS packages and tools <https://www.lammps.org/offsite.html>`_ page of the LAMMPS web
|
||||||
site for examples of groups that do this. We are happy to advertise
|
site for examples of groups that do this. We are happy to advertise
|
||||||
your package and web site from that page. Simply email the
|
your package and web site from that page. Simply email the
|
||||||
`developers <https://lammps.sandia.gov/authors.html>`_ with info about
|
`developers <https://www.lammps.org/authors.html>`_ with info about
|
||||||
your package and we will post it there.
|
your package and we will post it there.
|
||||||
|
|
||||||
.. _lws: https://lammps.sandia.gov
|
.. _lws: https://www.lammps.org
|
||||||
|
|
||||||
The previous sections of this doc page describe how to add new "style"
|
The previous sections of this doc page describe how to add new "style"
|
||||||
files of various kinds to LAMMPS. Packages are simply collections of
|
files of various kinds to LAMMPS. Packages are simply collections of
|
||||||
@ -96,7 +96,7 @@ LAMMPS input script. If designed correctly, these additions typically
|
|||||||
do not require changes to the main core of LAMMPS; they are simply
|
do not require changes to the main core of LAMMPS; they are simply
|
||||||
add-on files. If you think your new feature requires non-trivial
|
add-on files. If you think your new feature requires non-trivial
|
||||||
changes in core LAMMPS files, you should `communicate with the
|
changes in core LAMMPS files, you should `communicate with the
|
||||||
developers <https://lammps.sandia.gov/authors.html>`_, since we may or
|
developers <https://www.lammps.org/authors.html>`_, since we may or
|
||||||
may not want to include those changes for some reason. An example of a
|
may not want to include those changes for some reason. An example of a
|
||||||
trivial change is making a parent-class method "virtual" when you derive
|
trivial change is making a parent-class method "virtual" when you derive
|
||||||
a new child class from it.
|
a new child class from it.
|
||||||
|
|||||||
@ -133,8 +133,8 @@ particle models including ellipsoids, 2d lines, and 3d triangles.
|
|||||||
* `doc/PDF/pair_resquared_extra.pdf <PDF/pair_resquared_extra.pdf>`_
|
* `doc/PDF/pair_resquared_extra.pdf <PDF/pair_resquared_extra.pdf>`_
|
||||||
* examples/ASPHERE
|
* examples/ASPHERE
|
||||||
* examples/ellipse
|
* examples/ellipse
|
||||||
* https://lammps.sandia.gov/movies.html#line
|
* https://www.lammps.org/movies.html#line
|
||||||
* https://lammps.sandia.gov/movies.html#tri
|
* https://www.lammps.org/movies.html#tri
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -330,7 +330,7 @@ This package has :ref:`specific installation instructions <gpu>` on the :doc:`Bu
|
|||||||
* :doc:`package gpu <package>`
|
* :doc:`package gpu <package>`
|
||||||
* :doc:`Commands <Commands_all>` pages (:doc:`pair <Commands_pair>`, :doc:`kspace <Commands_kspace>`)
|
* :doc:`Commands <Commands_all>` pages (:doc:`pair <Commands_pair>`, :doc:`kspace <Commands_kspace>`)
|
||||||
for styles followed by (g)
|
for styles followed by (g)
|
||||||
* `Benchmarks page <https://lammps.sandia.gov/bench.html>`_ of web site
|
* `Benchmarks page <https://www.lammps.org/bench.html>`_ of web site
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -356,11 +356,11 @@ potentials.
|
|||||||
* examples/granregion
|
* examples/granregion
|
||||||
* examples/pour
|
* examples/pour
|
||||||
* bench/in.chute
|
* bench/in.chute
|
||||||
* https://lammps.sandia.gov/pictures.html#jamming
|
* https://www.lammps.org/pictures.html#jamming
|
||||||
* https://lammps.sandia.gov/movies.html#hopper
|
* https://www.lammps.org/movies.html#hopper
|
||||||
* https://lammps.sandia.gov/movies.html#dem
|
* https://www.lammps.org/movies.html#dem
|
||||||
* https://lammps.sandia.gov/movies.html#brazil
|
* https://www.lammps.org/movies.html#brazil
|
||||||
* https://lammps.sandia.gov/movies.html#granregion
|
* https://www.lammps.org/movies.html#granregion
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -479,7 +479,7 @@ This package has :ref:`specific installation instructions <kokkos>` on the :doc:
|
|||||||
* Search the :doc:`commands <Commands_all>` pages (:doc:`fix <Commands_fix>`, :doc:`compute <Commands_compute>`,
|
* Search the :doc:`commands <Commands_all>` pages (:doc:`fix <Commands_fix>`, :doc:`compute <Commands_compute>`,
|
||||||
:doc:`pair <Commands_pair>`, :doc:`bond, angle, dihedral, improper <Commands_bond>`,
|
:doc:`pair <Commands_pair>`, :doc:`bond, angle, dihedral, improper <Commands_bond>`,
|
||||||
:doc:`kspace <Commands_kspace>`) for styles followed by (k)
|
:doc:`kspace <Commands_kspace>`) for styles followed by (k)
|
||||||
* `Benchmarks page <https://lammps.sandia.gov/bench.html>`_ of web site
|
* `Benchmarks page <https://www.lammps.org/bench.html>`_ of web site
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -603,7 +603,7 @@ bonds, for performing atomic swaps, and performing grand-canonical MC
|
|||||||
* :doc:`fix tfmc <fix_tfmc>`
|
* :doc:`fix tfmc <fix_tfmc>`
|
||||||
* :doc:`fix widom <fix_widom>`
|
* :doc:`fix widom <fix_widom>`
|
||||||
* :doc:`pair_style dsmc <pair_dsmc>`
|
* :doc:`pair_style dsmc <pair_dsmc>`
|
||||||
* https://lammps.sandia.gov/movies.html#gcmc
|
* https://www.lammps.org/movies.html#gcmc
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -660,8 +660,8 @@ listing, "ls src/MISC", to see the list of commands.
|
|||||||
* :doc:`fix viscosity <fix_viscosity>`
|
* :doc:`fix viscosity <fix_viscosity>`
|
||||||
* examples/KAPPA
|
* examples/KAPPA
|
||||||
* examples/VISCOSITY
|
* examples/VISCOSITY
|
||||||
* https://lammps.sandia.gov/pictures.html#ttm
|
* https://www.lammps.org/pictures.html#ttm
|
||||||
* https://lammps.sandia.gov/movies.html#evaporation
|
* https://www.lammps.org/movies.html#evaporation
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -816,7 +816,7 @@ This package has :ref:`specific installation instructions <opt>` on the :doc:`Bu
|
|||||||
* :doc:`OPT package <Speed_opt>`
|
* :doc:`OPT package <Speed_opt>`
|
||||||
* :doc:`Section 2.6 -sf opt <Run_options>`
|
* :doc:`Section 2.6 -sf opt <Run_options>`
|
||||||
* Search the :doc:`pair style <Commands_pair>` page for styles followed by (t)
|
* Search the :doc:`pair style <Commands_pair>` page for styles followed by (t)
|
||||||
* `Benchmarks page <https://lammps.sandia.gov/bench.html>`_ of web site
|
* `Benchmarks page <https://www.lammps.org/bench.html>`_ of web site
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -847,7 +847,7 @@ Foster (UTSA).
|
|||||||
* :doc:`compute damage/atom <compute_damage_atom>`
|
* :doc:`compute damage/atom <compute_damage_atom>`
|
||||||
* :doc:`compute plasticity/atom <compute_plasticity_atom>`
|
* :doc:`compute plasticity/atom <compute_plasticity_atom>`
|
||||||
* examples/peri
|
* examples/peri
|
||||||
* https://lammps.sandia.gov/movies.html#peri
|
* https://www.lammps.org/movies.html#peri
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -1008,8 +1008,8 @@ Also several computes which calculate properties of rigid bodies.
|
|||||||
* examples/ASPHERE
|
* examples/ASPHERE
|
||||||
* examples/rigid
|
* examples/rigid
|
||||||
* bench/in.rhodo
|
* bench/in.rhodo
|
||||||
* https://lammps.sandia.gov/movies.html#box
|
* https://www.lammps.org/movies.html#box
|
||||||
* https://lammps.sandia.gov/movies.html#star
|
* https://www.lammps.org/movies.html#star
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -1110,9 +1110,9 @@ colloidal particles.
|
|||||||
* :doc:`fix wall/srd <fix_wall_srd>`
|
* :doc:`fix wall/srd <fix_wall_srd>`
|
||||||
* examples/srd
|
* examples/srd
|
||||||
* examples/ASPHERE
|
* examples/ASPHERE
|
||||||
* https://lammps.sandia.gov/movies.html#tri
|
* https://www.lammps.org/movies.html#tri
|
||||||
* https://lammps.sandia.gov/movies.html#line
|
* https://www.lammps.org/movies.html#line
|
||||||
* https://lammps.sandia.gov/movies.html#poly
|
* https://www.lammps.org/movies.html#poly
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -1204,7 +1204,7 @@ This package has :ref:`specific installation instructions <user-atc>` on the :do
|
|||||||
* src/USER-ATC/README
|
* src/USER-ATC/README
|
||||||
* :doc:`fix atc <fix_atc>`
|
* :doc:`fix atc <fix_atc>`
|
||||||
* examples/USER/atc
|
* examples/USER/atc
|
||||||
* https://lammps.sandia.gov/pictures.html#atc
|
* https://www.lammps.org/pictures.html#atc
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -1337,7 +1337,7 @@ acids.
|
|||||||
* :doc:`pair_style lj/sdk/\* <pair_sdk>`
|
* :doc:`pair_style lj/sdk/\* <pair_sdk>`
|
||||||
* :doc:`angle_style sdk <angle_sdk>`
|
* :doc:`angle_style sdk <angle_sdk>`
|
||||||
* examples/USER/cgsdk
|
* examples/USER/cgsdk
|
||||||
* https://lammps.sandia.gov/pictures.html#cg
|
* https://www.lammps.org/pictures.html#cg
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -1574,7 +1574,7 @@ tools/eff; see its README file.
|
|||||||
* examples/USER/eff
|
* examples/USER/eff
|
||||||
* tools/eff/README
|
* tools/eff/README
|
||||||
* tools/eff
|
* tools/eff
|
||||||
* https://lammps.sandia.gov/movies.html#eff
|
* https://www.lammps.org/movies.html#eff
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -1683,7 +1683,7 @@ This package has :ref:`specific installation instructions <user-intel>` on the :
|
|||||||
* Search the :doc:`commands <Commands_all>` pages (:doc:`fix <Commands_fix>`, :doc:`compute <Commands_compute>`,
|
* Search the :doc:`commands <Commands_all>` pages (:doc:`fix <Commands_fix>`, :doc:`compute <Commands_compute>`,
|
||||||
:doc:`pair <Commands_pair>`, :doc:`bond, angle, dihedral, improper <Commands_bond>`, :doc:`kspace <Commands_kspace>`) for styles followed by (i)
|
:doc:`pair <Commands_pair>`, :doc:`bond, angle, dihedral, improper <Commands_bond>`, :doc:`kspace <Commands_kspace>`) for styles followed by (i)
|
||||||
* src/USER-INTEL/TEST
|
* src/USER-INTEL/TEST
|
||||||
* `Benchmarks page <https://lammps.sandia.gov/bench.html>`_ of web site
|
* `Benchmarks page <https://www.lammps.org/bench.html>`_ of web site
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -1788,7 +1788,7 @@ Waltham, MA, USA)
|
|||||||
* :doc:`fix nve/manifold/rattle <fix_nve_manifold_rattle>`
|
* :doc:`fix nve/manifold/rattle <fix_nve_manifold_rattle>`
|
||||||
* :doc:`fix nvt/manifold/rattle <fix_nvt_manifold_rattle>`
|
* :doc:`fix nvt/manifold/rattle <fix_nvt_manifold_rattle>`
|
||||||
* examples/USER/manifold
|
* examples/USER/manifold
|
||||||
* https://lammps.sandia.gov/movies.html#manifold
|
* https://www.lammps.org/movies.html#manifold
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -1866,10 +1866,10 @@ algorithm.
|
|||||||
* :doc:`pair_style tdpd <pair_mesodpd>`
|
* :doc:`pair_style tdpd <pair_mesodpd>`
|
||||||
* :doc:`fix mvv/dpd <fix_mvv_dpd>`
|
* :doc:`fix mvv/dpd <fix_mvv_dpd>`
|
||||||
* examples/USER/mesodpd
|
* examples/USER/mesodpd
|
||||||
* https://lammps.sandia.gov/movies.html#mesodpd
|
* https://www.lammps.org/movies.html#mesodpd
|
||||||
|
|
||||||
* examples/USER/meso
|
* examples/USER/meso
|
||||||
* http://lammps.sandia.gov/movies.html#mesodpd
|
* http://www.lammps.org/movies.html#mesodpd
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -2085,7 +2085,7 @@ This package has :ref:`specific installation instructions <user-omp>` on the :do
|
|||||||
* Search the :doc:`commands <Commands_all>` pages (:doc:`fix <Commands_fix>`, :doc:`compute <Commands_compute>`,
|
* Search the :doc:`commands <Commands_all>` pages (:doc:`fix <Commands_fix>`, :doc:`compute <Commands_compute>`,
|
||||||
:doc:`pair <Commands_pair>`, :doc:`bond, angle, dihedral, improper <Commands_bond>`,
|
:doc:`pair <Commands_pair>`, :doc:`bond, angle, dihedral, improper <Commands_bond>`,
|
||||||
:doc:`kspace <Commands_kspace>`) for styles followed by (o)
|
:doc:`kspace <Commands_kspace>`) for styles followed by (o)
|
||||||
* `Benchmarks page <https://lammps.sandia.gov/bench.html>`_ of web site
|
* `Benchmarks page <https://www.lammps.org/bench.html>`_ of web site
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -2268,8 +2268,8 @@ molecules, and chiral-sensitive reactions.
|
|||||||
* src/USER-REACTION/README
|
* src/USER-REACTION/README
|
||||||
* :doc:`fix bond/react <fix_bond_react>`
|
* :doc:`fix bond/react <fix_bond_react>`
|
||||||
* examples/USER/reaction
|
* examples/USER/reaction
|
||||||
* `2017 LAMMPS Workshop <https://lammps.sandia.gov/workshops/Aug17/pdf/gissinger.pdf>`_
|
* `2017 LAMMPS Workshop <https://www.lammps.org/workshops/Aug17/pdf/gissinger.pdf>`_
|
||||||
* `2019 LAMMPS Workshop <https://lammps.sandia.gov/workshops/Aug19/talk_gissinger.pdf>`_
|
* `2019 LAMMPS Workshop <https://www.lammps.org/workshops/Aug19/talk_gissinger.pdf>`_
|
||||||
* reacter.org
|
* reacter.org
|
||||||
|
|
||||||
----------
|
----------
|
||||||
@ -2396,7 +2396,7 @@ This package has :ref:`specific installation instructions <user-smd>` on the :do
|
|||||||
* src/USER-SMD/README
|
* src/USER-SMD/README
|
||||||
* doc/PDF/SMD_LAMMPS_userguide.pdf
|
* doc/PDF/SMD_LAMMPS_userguide.pdf
|
||||||
* examples/USER/smd
|
* examples/USER/smd
|
||||||
* https://lammps.sandia.gov/movies.html#smd
|
* https://www.lammps.org/movies.html#smd
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
@ -2453,7 +2453,7 @@ Dynamics, Ernst Mach Institute, Germany).
|
|||||||
* src/USER-SPH/README
|
* src/USER-SPH/README
|
||||||
* doc/PDF/SPH_LAMMPS_userguide.pdf
|
* doc/PDF/SPH_LAMMPS_userguide.pdf
|
||||||
* examples/USER/sph
|
* examples/USER/sph
|
||||||
* https://lammps.sandia.gov/movies.html#sph
|
* https://www.lammps.org/movies.html#sph
|
||||||
|
|
||||||
----------
|
----------
|
||||||
|
|
||||||
|
|||||||
@ -39,13 +39,13 @@ package:
|
|||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`DIPOLE <PKG-DIPOLE>` | point dipole particles | :doc:`pair_style lj/.../dipole <pair_dipole>` | dipole | no |
|
| :ref:`DIPOLE <PKG-DIPOLE>` | point dipole particles | :doc:`pair_style lj/.../dipole <pair_dipole>` | dipole | no |
|
||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`GPU <PKG-GPU>` | GPU-enabled styles | :doc:`Section gpu <Speed_gpu>` | `Benchmarks <https://lammps.sandia.gov/bench.html>`_ | int |
|
| :ref:`GPU <PKG-GPU>` | GPU-enabled styles | :doc:`Section gpu <Speed_gpu>` | `Benchmarks <https://www.lammps.org/bench.html>`_ | int |
|
||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`GRANULAR <PKG-GRANULAR>` | granular systems | :doc:`Howto granular <Howto_granular>` | pour | no |
|
| :ref:`GRANULAR <PKG-GRANULAR>` | granular systems | :doc:`Howto granular <Howto_granular>` | pour | no |
|
||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`KIM <PKG-KIM>` | OpenKIM wrapper | :doc:`pair_style kim <pair_kim>` | kim | ext |
|
| :ref:`KIM <PKG-KIM>` | OpenKIM wrapper | :doc:`pair_style kim <pair_kim>` | kim | ext |
|
||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`KOKKOS <PKG-KOKKOS>` | Kokkos-enabled styles | :doc:`Speed kokkos <Speed_kokkos>` | `Benchmarks <https://lammps.sandia.gov/bench.html>`_ | no |
|
| :ref:`KOKKOS <PKG-KOKKOS>` | Kokkos-enabled styles | :doc:`Speed kokkos <Speed_kokkos>` | `Benchmarks <https://www.lammps.org/bench.html>`_ | no |
|
||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`KSPACE <PKG-KSPACE>` | long-range Coulombic solvers | :doc:`kspace_style <kspace_style>` | peptide | no |
|
| :ref:`KSPACE <PKG-KSPACE>` | long-range Coulombic solvers | :doc:`kspace_style <kspace_style>` | peptide | no |
|
||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
||||||
@ -67,7 +67,7 @@ package:
|
|||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`MSCG <PKG-MSCG>` | multi-scale coarse-graining wrapper | :doc:`fix mscg <fix_mscg>` | mscg | ext |
|
| :ref:`MSCG <PKG-MSCG>` | multi-scale coarse-graining wrapper | :doc:`fix mscg <fix_mscg>` | mscg | ext |
|
||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`OPT <PKG-OPT>` | optimized pair styles | :doc:`Speed opt <Speed_opt>` | `Benchmarks <https://lammps.sandia.gov/bench.html>`_ | no |
|
| :ref:`OPT <PKG-OPT>` | optimized pair styles | :doc:`Speed opt <Speed_opt>` | `Benchmarks <https://www.lammps.org/bench.html>`_ | no |
|
||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`PERI <PKG-PERI>` | Peridynamics models | :doc:`pair_style peri <pair_peri>` | peri | no |
|
| :ref:`PERI <PKG-PERI>` | Peridynamics models | :doc:`pair_style peri <pair_peri>` | peri | no |
|
||||||
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+
|
||||||
|
|||||||
@ -59,7 +59,7 @@ package:
|
|||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`USER-H5MD <PKG-USER-H5MD>` | dump output via HDF5 | :doc:`dump h5md <dump_h5md>` | n/a | ext |
|
| :ref:`USER-H5MD <PKG-USER-H5MD>` | dump output via HDF5 | :doc:`dump h5md <dump_h5md>` | n/a | ext |
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`USER-INTEL <PKG-USER-INTEL>` | optimized Intel CPU and KNL styles | :doc:`Speed intel <Speed_intel>` | `Benchmarks <https://lammps.sandia.gov/bench.html>`_ | no |
|
| :ref:`USER-INTEL <PKG-USER-INTEL>` | optimized Intel CPU and KNL styles | :doc:`Speed intel <Speed_intel>` | `Benchmarks <https://www.lammps.org/bench.html>`_ | no |
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`USER-LB <PKG-USER-LB>` | Lattice Boltzmann fluid | :doc:`fix lb/fluid <fix_lb_fluid>` | USER/lb | no |
|
| :ref:`USER-LB <PKG-USER-LB>` | Lattice Boltzmann fluid | :doc:`fix lb/fluid <fix_lb_fluid>` | USER/lb | no |
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
||||||
@ -83,7 +83,7 @@ package:
|
|||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`USER-NETCDF <PKG-USER-NETCDF>` | dump output via NetCDF | :doc:`dump netcdf <dump_netcdf>` | n/a | ext |
|
| :ref:`USER-NETCDF <PKG-USER-NETCDF>` | dump output via NetCDF | :doc:`dump netcdf <dump_netcdf>` | n/a | ext |
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`USER-OMP <PKG-USER-OMP>` | OpenMP-enabled styles | :doc:`Speed omp <Speed_omp>` | `Benchmarks <https://lammps.sandia.gov/bench.html>`_ | no |
|
| :ref:`USER-OMP <PKG-USER-OMP>` | OpenMP-enabled styles | :doc:`Speed omp <Speed_omp>` | `Benchmarks <https://www.lammps.org/bench.html>`_ | no |
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
||||||
| :ref:`USER-PACE <PKG-USER-PACE>` | Fast implementation of Atomic Cluster Expansion (ACE) potential | :doc:`pair pace <pair_pace>` | USER/pace | ext |
|
| :ref:`USER-PACE <PKG-USER-PACE>` | Fast implementation of Atomic Cluster Expansion (ACE) potential | :doc:`pair pace <pair_pace>` | USER/pace | ext |
|
||||||
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
+------------------------------------------------+-----------------------------------------------------------------+-------------------------------------------------------------------------------+------------------------------------------------------+---------+
|
||||||
|
|||||||
@ -12,7 +12,7 @@ accelerator packages provided with LAMMPS that contain code optimized
|
|||||||
for certain kinds of hardware, including multi-core CPUs, GPUs, and
|
for certain kinds of hardware, including multi-core CPUs, GPUs, and
|
||||||
Intel Xeon Phi co-processors.
|
Intel Xeon Phi co-processors.
|
||||||
|
|
||||||
The `Benchmark page <https://lammps.sandia.gov/bench.html>`_ of the LAMMPS
|
The `Benchmark page <https://www.lammps.org/bench.html>`_ of the LAMMPS
|
||||||
web site gives performance results for the various accelerator
|
web site gives performance results for the various accelerator
|
||||||
packages discussed on the :doc:`Speed packages <Speed_packages>` doc
|
packages discussed on the :doc:`Speed packages <Speed_packages>` doc
|
||||||
page, for several of the standard LAMMPS benchmark problems, as a
|
page, for several of the standard LAMMPS benchmark problems, as a
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
Benchmarks
|
Benchmarks
|
||||||
==========
|
==========
|
||||||
|
|
||||||
Current LAMMPS performance is discussed on the `Benchmarks page <https://lammps.sandia.gov/bench.html>`_ of the `LAMMPS website <lws_>`_
|
Current LAMMPS performance is discussed on the `Benchmarks page <https://www.lammps.org/bench.html>`_ of the `LAMMPS website <lws_>`_
|
||||||
where timings and parallel efficiency are listed. The page has
|
where timings and parallel efficiency are listed. The page has
|
||||||
several sections, which are briefly described below:
|
several sections, which are briefly described below:
|
||||||
|
|
||||||
@ -43,11 +43,11 @@ to build LAMMPS and run on that kind of hardware.
|
|||||||
|
|
||||||
The bench/POTENTIALS directory has input files which correspond to the
|
The bench/POTENTIALS directory has input files which correspond to the
|
||||||
table of results on the
|
table of results on the
|
||||||
`Potentials <https://lammps.sandia.gov/bench.html#potentials>`_ section of
|
`Potentials <https://www.lammps.org/bench.html#potentials>`_ section of
|
||||||
the Benchmarks web page. So you can also run those test problems on
|
the Benchmarks web page. So you can also run those test problems on
|
||||||
your machine.
|
your machine.
|
||||||
|
|
||||||
The `billion-atom <https://lammps.sandia.gov/bench.html#billion>`_ section
|
The `billion-atom <https://www.lammps.org/bench.html#billion>`_ section
|
||||||
of the Benchmarks web page has performance data for very large
|
of the Benchmarks web page has performance data for very large
|
||||||
benchmark runs of simple Lennard-Jones (LJ) models, which use the
|
benchmark runs of simple Lennard-Jones (LJ) models, which use the
|
||||||
bench/in.lj input script.
|
bench/in.lj input script.
|
||||||
@ -73,4 +73,4 @@ estimate parallel performance for multi-node runs using the same logic
|
|||||||
as for all-MPI mode, except that now you will typically need many more
|
as for all-MPI mode, except that now you will typically need many more
|
||||||
atoms/node to achieve good scalability.
|
atoms/node to achieve good scalability.
|
||||||
|
|
||||||
.. _lws: https://lammps.sandia.gov
|
.. _lws: https://www.lammps.org
|
||||||
|
|||||||
@ -152,7 +152,7 @@ in OpenCL mode on CPUs (which uses vectorization and multithreading) is
|
|||||||
usually resulting in inferior performance compared to using LAMMPS' native
|
usually resulting in inferior performance compared to using LAMMPS' native
|
||||||
threading and vectorization support in the USER-OMP and USER-INTEL packages.
|
threading and vectorization support in the USER-OMP and USER-INTEL packages.
|
||||||
|
|
||||||
See the `Benchmark page <https://lammps.sandia.gov/bench.html>`_ of the
|
See the `Benchmark page <https://www.lammps.org/bench.html>`_ of the
|
||||||
LAMMPS web site for performance of the GPU package on various
|
LAMMPS web site for performance of the GPU package on various
|
||||||
hardware, including the Titan HPC platform at ORNL.
|
hardware, including the Titan HPC platform at ORNL.
|
||||||
|
|
||||||
|
|||||||
@ -406,7 +406,7 @@ Generally speaking, the following rules of thumb apply:
|
|||||||
package also can increase the vector length of vector instructions
|
package also can increase the vector length of vector instructions
|
||||||
by switching to single or mixed precision mode.
|
by switching to single or mixed precision mode.
|
||||||
|
|
||||||
See the `Benchmark page <https://lammps.sandia.gov/bench.html>`_ of the
|
See the `Benchmark page <https://www.lammps.org/bench.html>`_ of the
|
||||||
LAMMPS web site for performance of the KOKKOS package on different
|
LAMMPS web site for performance of the KOKKOS package on different
|
||||||
hardware.
|
hardware.
|
||||||
|
|
||||||
|
|||||||
@ -145,7 +145,7 @@ sub-directories with Make.py commands and input scripts for using all
|
|||||||
the accelerator packages on various machines. See the README files in
|
the accelerator packages on various machines. See the README files in
|
||||||
those directories.
|
those directories.
|
||||||
|
|
||||||
As mentioned above, the `Benchmark page <https://lammps.sandia.gov/bench.html>`_ of the LAMMPS web site gives
|
As mentioned above, the `Benchmark page <https://www.lammps.org/bench.html>`_ of the LAMMPS web site gives
|
||||||
performance results for the various accelerator packages for several
|
performance results for the various accelerator packages for several
|
||||||
of the standard LAMMPS benchmark problems, as a function of problem
|
of the standard LAMMPS benchmark problems, as a function of problem
|
||||||
size and number of compute nodes, on different hardware platforms.
|
size and number of compute nodes, on different hardware platforms.
|
||||||
|
|||||||
@ -6,15 +6,15 @@ molecular dynamics computations. Additional pre- and post-processing
|
|||||||
steps are often necessary to setup and analyze a simulation. A list
|
steps are often necessary to setup and analyze a simulation. A list
|
||||||
of such tools can be found on the `LAMMPS webpage <lws_>`_ at these links:
|
of such tools can be found on the `LAMMPS webpage <lws_>`_ at these links:
|
||||||
|
|
||||||
* `Pre/Post processing <https://lammps.sandia.gov/prepost.html>`_
|
* `Pre/Post processing <https://www.lammps.org/prepost.html>`_
|
||||||
* `Offsite LAMMPS packages & tools <https://lammps.sandia.gov/offsite.html>`_
|
* `Offsite LAMMPS packages & tools <https://www.lammps.org/offsite.html>`_
|
||||||
* `Pizza.py toolkit <pizza_>`_
|
* `Pizza.py toolkit <pizza_>`_
|
||||||
|
|
||||||
The last link for `Pizza.py <pizza_>`_ is a Python-based tool developed at
|
The last link for `Pizza.py <pizza_>`_ is a Python-based tool developed at
|
||||||
Sandia which provides tools for doing setup, analysis, plotting, and
|
Sandia which provides tools for doing setup, analysis, plotting, and
|
||||||
visualization for LAMMPS simulations.
|
visualization for LAMMPS simulations.
|
||||||
|
|
||||||
.. _lws: https://lammps.sandia.gov
|
.. _lws: https://www.lammps.org
|
||||||
.. _pizza: https://pizza.sandia.gov
|
.. _pizza: https://pizza.sandia.gov
|
||||||
.. _python: https://www.python.org
|
.. _python: https://www.python.org
|
||||||
|
|
||||||
|
|||||||
@ -65,7 +65,7 @@ non-granular particles and simpler wall geometries, respectively.
|
|||||||
|
|
||||||
Here are snapshots of example models using this command. Corresponding
|
Here are snapshots of example models using this command. Corresponding
|
||||||
input scripts can be found in examples/granregion. Movies of these
|
input scripts can be found in examples/granregion. Movies of these
|
||||||
simulations are `here on the Movies page <https://lammps.sandia.gov/movies.html#granregion>`_
|
simulations are `here on the Movies page <https://www.lammps.org/movies.html#granregion>`_
|
||||||
of the LAMMPS web site.
|
of the LAMMPS web site.
|
||||||
|
|
||||||
.. |wallgran1| image:: img/gran_funnel.png
|
.. |wallgran1| image:: img/gran_funnel.png
|
||||||
|
|||||||
@ -112,7 +112,7 @@ setup_kwargs= dict(name="lammps",
|
|||||||
version=verstr,
|
version=verstr,
|
||||||
author="Steve Plimpton",
|
author="Steve Plimpton",
|
||||||
author_email="sjplimp@sandia.gov",
|
author_email="sjplimp@sandia.gov",
|
||||||
url="https://lammps.sandia.gov",
|
url="https://www.lammps.org",
|
||||||
description="LAMMPS Molecular Dynamics Python package",
|
description="LAMMPS Molecular Dynamics Python package",
|
||||||
license="GPL",
|
license="GPL",
|
||||||
packages=pkgs,
|
packages=pkgs,
|
||||||
|
|||||||
@ -26,7 +26,7 @@ setup(
|
|||||||
version = get_lammps_version(),
|
version = get_lammps_version(),
|
||||||
author = "Steve Plimpton",
|
author = "Steve Plimpton",
|
||||||
author_email = "sjplimp@sandia.gov",
|
author_email = "sjplimp@sandia.gov",
|
||||||
url = "https://lammps.sandia.gov",
|
url = "https://www.lammps.org",
|
||||||
description = "LAMMPS Molecular Dynamics Python package",
|
description = "LAMMPS Molecular Dynamics Python package",
|
||||||
license = "GPL",
|
license = "GPL",
|
||||||
packages=pkgs,
|
packages=pkgs,
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
||||||
|
|||||||
@ -1,6 +1,6 @@
|
|||||||
/* -*- c++ -*- ----------------------------------------------------------
|
/* -*- c++ -*- ----------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
|
||||||
|
|||||||
@ -1,7 +1,7 @@
|
|||||||
// clang-format off
|
// clang-format off
|
||||||
/* ----------------------------------------------------------------------
|
/* ----------------------------------------------------------------------
|
||||||
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
|
||||||
https://lammps.sandia.gov/, Sandia National Laboratories
|
https://www.lammps.org/, Sandia National Laboratories
|
||||||
Steve Plimpton, sjplimp@sandia.gov
|
Steve Plimpton, sjplimp@sandia.gov
|
||||||
|
|
||||||
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
Copyright (2003) Sandia Corporation. Under the terms of Contract
|
||||||
|
|||||||
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Reference in New Issue
Block a user